1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine

C16H17F2NO — CID 79724876

IUPAC1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2cc(C)c(F)cc2F)cc1
InChIInChI=1S/C16H17F2NO/c1-10-7-13(15(18)9-14(10)17)16(19)8-11-3-5-12(20-2)6-4-11/h3-7,9,16H,8,19H2,1-2H3
InChIKeyJXZNXEHCSHGJCK-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.52
Rot. Bonds4

About 1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine

1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine (PubChem CID 79724876) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine
PubChem CID79724876
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2cc(C)c(F)cc2F)cc1
InChIInChI=1S/C16H17F2NO/c1-10-7-13(15(18)9-14(10)17)16(19)8-11-3-5-12(20-2)6-4-11/h3-7,9,16H,8,19H2,1-2H3
InChIKeyJXZNXEHCSHGJCK-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301772
1-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 115483724
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 43561226
2-(4-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561283
1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 106877505
2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561233
1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 79724225
2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81304819
2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 115844832
1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61078317
1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079796
2-(4-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301785

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine (CID 79724876) is 1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine is COc1ccc(CC(N)c2cc(C)c(F)cc2F)cc1.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine?
The InChIKey is JXZNXEHCSHGJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-10-7-13(15(18)9-14(10)17)16(19)8-11-3-5-12(20-2)6-4-11/h3-7,9,16H,8,19H2,1-2H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine?
1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine has a molecular weight of 277.31 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 79724876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).